Compound Detail
CHEMBL21011
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Basic Information
| ChEMBL ID | CHEMBL21011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIDNSGGKXKJNLV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.9
MW (Da)
3.79
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 15.85 | nM | 7.8 | Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells... | - |
| D(2) dopamine receptor | Ki | = | 1000.0 | nM | 6.0 | Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, us... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00198-9 | D(4) dopamine receptor | 1 |
| - | 10.1016/0960-894X(96)00198-9 | D(2) dopamine receptor | 1 |
| - | 10.1016/0960-894X(96)00198-9 | Dopamine receptors; D2 & D4 | 1 |
Data from ChEMBL 36 via Core Engine